SCHEMBL4534089

SCHEMBL4534089

CCc1ccc(-c2c(-c3ccccc3)oc3ncnc(O[C@H](C)CN(C)Cc4ccccc4)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.44
AURKA O14965 7/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
EGFR P00533 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
UBE2N P61088 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAD52 P43351 1/20 0.42
TNK2 Q07912 5/20 0.42
LCK P06239 2/20 0.40
JAK2 O60674 1/20 0.40
SRC P12931 1/20 0.40
KDR P35968 1/20 0.40
ZAP70 P43403 1/20 0.40
JAK3 P52333 1/20 0.40
MAP2K1 Q02750 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4531263 0.90 KDM4E (0.56) CHEK1AURKAKMT2AMEN1EGFR
SCHEMBL4527236 0.86 CHEK1 (0.43) CHEK1AURKAKMT2AMEN1EGFR
SCHEMBL4530425 0.86 CHEK1 (0.43) CHEK1AURKAKMT2AMEN1EGFR
SCHEMBL6749031 0.85 AURKA (0.54) CHEK1AURKAKMT2AMEN1EGFR
SCHEMBL4525589 0.85 AURKA (0.54) CHEK1AURKAKMT2AMEN1EGFR
SCHEMBL4535575 0.84 AURKA (0.44) CHEK1AURKAKMT2AMEN1EGFR
SCHEMBL6749778 0.84 AURKA (0.53) CHEK1AURKAKMT2AMEN1EGFR
SCHEMBL14021589 0.84 AURKA (0.53) CHEK1AURKAKMT2AMEN1EGFR
SCHEMBL6751134 0.82 AURKA (0.41) CHEK1AURKAKMT2AMEN1EGFR
Hydrochloric Acid SCHEMBL4530243 0.82 AURKA (0.41) CHEK1AURKAKMT2AMEN1EGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966217-B1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-05-08 EP disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT CHEK1 969/4885AURKA 2909/4885KMT2A 3401/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.